ChemDB: Chemical Search
Download
Chemical ID: 7083411
Chemical ID:
7083411
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCN5CCOCC5
InChi [?]:
InChI=1/C27H28N2O5/c1-3-14-33-20-7-5-19(6-8-20)24-23-25(30)21-17-18(2)4-9-22(21)34-26(23)27(31)29(24)11-10-28-12-15-32-16-13-28/h3-9,17,24H,1,10-16H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,3,18,22,19,21,4,28,27,30,34,24,31,33,7,2,17,20,6,5,10,16,8,11,13,29,15,9,14,32,23,12/E:(5,6)(7,8)(12,13)(15,16)/rA:34cCCCCCCCCOCCOCONCCCCCCCOCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s15;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N2O5 |
All Atoms: | 62 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1735 |
Area: | 686.07 |
Solvation: | -5.97822 |
Coulombic: | -57.2253 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 460.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.25 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|